CID 3050462
4-piperidone, 3-axial-hydroxy-3-equatorial-methyl-6-equatorial-phenyl-, hydrochloride
Structural Information
- Molecular Formula
- C12H15NO2
- SMILES
- C[C@@]1(CN[C@@H](CC1=O)C2=CC=CC=C2)O
- InChI
- InChI=1S/C12H15NO2/c1-12(15)8-13-10(7-11(12)14)9-5-3-2-4-6-9/h2-6,10,13,15H,7-8H2,1H3/t10-,12-/m0/s1
- InChIKey
- FCHSENMMULOZQO-JQWIXIFHSA-N
- Compound name
- (2S,5S)-5-hydroxy-5-methyl-2-phenylpiperidin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 206.11756 | 146.2 |
[M+Na]+ | 228.09950 | 152.9 |
[M-H]- | 204.10300 | 148.7 |
[M+NH4]+ | 223.14410 | 164.3 |
[M+K]+ | 244.07344 | 148.9 |
[M+H-H2O]+ | 188.10754 | 139.7 |
[M+HCOO]- | 250.10848 | 163.3 |
[M+CH3COO]- | 264.12413 | 179.6 |
[M+Na-2H]- | 226.08495 | 151.1 |
[M]+ | 205.10973 | 140.4 |
[M]- | 205.11083 | 140.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.